CID 90421397

5-fluoro-3-methoxy-2-nitroaniline

Structural Information

Molecular Formula

C₇H₇FN₂O₃

SMILES

COC1=CC(=CC(=C1[N+](=O)[O-])N)F

InChI

InChI=1S/C7H7FN2O3/c1-13-6-3-4(8)2-5(9)7(6)10(11)12/h2-3H,9H2,1H3

InChIKey

CDBVQSPCFPKING-UHFFFAOYSA-N

Compound name

5-fluoro-3-methoxy-2-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 186.04407 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.05135	131.3
[M+Na]+	209.03329	143.3
[M+NH4]+	204.07789	138.6
[M+K]+	225.00723	141.2
[M-H]-	185.03679	133.3
[M+Na-2H]-	207.01874	136.8
[M]+	186.04352	133.2
[M]-	186.04462	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe